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Multiscale modelling of polymers / Doros N. Theodorou, Vlasis G. Mavrantzas.
- Format:
- Book
- Author/Creator:
- Theodorou, Doros Nicolas, author.
- Mavrantzas, Vlasis G., author.
- Series:
- Oxford series on materials modelling ; 9.
- Oxford series on materials modelling ; 9
- Language:
- English
- Subjects (All):
- Polymers--Mathematical models.
- Polymers.
- Polymers--Computer simulation.
- Multiscale modeling.
- Physical Description:
- 1 online resource : illustrations (some color).
- Place of Publication:
- Oxford ; New York, NY : Oxford University Press, [2025]
- Summary:
- The last twenty years have seen an extraordinary development and application of new modelling concepts and powerful simulation tools in the field of polymers, which have dramatically extended our understanding of structure-property relationships and impacted the design of these materials. This book provides a comprehensive overview of the theory and practice of polymer multiscale modelling methods with a balanced combination of breadth and depth. After introducing the key methods for modelling polymeric materials computationally at the atomistic and mesoscopic levels, the text discusses how bridges between different levels of modelling can be built with minimal loss of predictive ability.
- Contents:
- Models for polymer chains
- From electronic structure calculations to classical force fields
- Molecular mechanics
- Molecular dynamics
- Monte Carlo
- Techniques for the analysis and simulation of infrequent events
- Coarse-graining
- Entanglement network-based simulations of deformation and flow
- Dissipative particle dynamics
- Beyond-equilibrium simulations based on principles of nonequilibrium thermodynamics.
- Notes:
- Includes bibliographical references and indexes.
- Description based on online resource; title from digital title page (Oxford Academic, viewed on April 30, 2026).
- Other Format:
- Print version : Theodorou, Doros Nicolas. Multiscale modelling of polymers.
- ISBN:
- 9780191746741
- 0191746746
- 9780198976547
- 0198976542
- OCLC:
- 1552791927
- Publisher Number:
- CIPO000319559
- Access Restriction:
- Restricted for use by site license
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